Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELESLFQDIMDGFAVYNNKVAVAVSGGIDSIVLLHLITSWAEKRQCPPPIALA-VNHGLRPESQEEVEFVVSYAKELGVK----KSFILNWKRQNIKGNVQSQARKARYELLTEWCKNNDVKHLFIAHHKDDQAETFLLRLERGSGLDGLSSMDYKSSLNGVCMLRPLLSFSRSRIKKYADFYRLKWVEDRSNQSLKYKRTLYRNLLKASGNQEILTERICLTTLHIKRATKALMHYTRLAFNDCVNVHDLGYIEIKLSEFYKLPEEIALRLLLYSIMVISSKHYKPRYNSLIAIFNKVLQKDNDVHCTLSGCKIRKYGESILIIRESSKIQEISVSLPLNAPIEWDNRFSCTILGNQECSVTIAPLKKTQKIPKFLKDYDCCPEVFYSLPVVLKDGKVLAYLHLNHDRKNINGDEVQCIINSTIKQNLVILAGI |
2E21 Chain:C ((26-206)) | -------------------RVLIAFSGGVDSVVLTDVLLKLKNYFSLKE-VALAHFNHMLRESAERDEEFCKEFAKERNMKIFVGKEDVRAFAKEN-RMSLEEAGRFLRYKFLKEILESEGFDCIATAHHLNDLLETSLLFFTRGTGLDGLIGFLPKEEV----IRRPLYYVKRSEIEEYAKFKGLRWVEDETNYEVSIPRNRIRHRVIPELKRINENLEDTFLKMVKVLRAEREFLEEEAQKLYKEVKKGNCLDVKKLKEKPLALQRRVIRKFIGEKDYEKVELVRSLLEKGGEVNLGKGKVLKRKERWLCFS-------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2E21.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78220 for 1307 contacts (-59.8/contact) +
2D Compatibility (PS) -18827 + (NN) -4527 + (LL) 12100
1D Compatibility (HY) -14400 + (ID) 3100
Total energy: -106974.0 ( -81.85 by residue)
QMean score : 0.531
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